1-methoxy-4-(4-methoxyphenyl)isoquinolin-5-ol

C17H15NO3 — CID 71375623

IUPAC1-methoxy-4-(4-methoxyphenyl)isoquinolin-5-ol
SMILESCOc1ccc(-c2cnc(OC)c3cccc(O)c23)cc1
InChIInChI=1S/C17H15NO3/c1-20-12-8-6-11(7-9-12)14-10-18-17(21-2)13-4-3-5-15(19)16(13)14/h3-10,19H,1-2H3
InChIKeyWPSKHGQCLISQOY-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.62
Rot. Bonds3

About 1-methoxy-4-(4-methoxyphenyl)isoquinolin-5-ol

1-methoxy-4-(4-methoxyphenyl)isoquinolin-5-ol (PubChem CID 71375623) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-methoxy-4-(4-methoxyphenyl)isoquinolin-5-ol.

Molecular Properties

Compound Name1-methoxy-4-(4-methoxyphenyl)isoquinolin-5-ol
PubChem CID71375623
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name1-methoxy-4-(4-methoxyphenyl)isoquinolin-5-ol
SMILESCOc1ccc(-c2cnc(OC)c3cccc(O)c23)cc1
InChIInChI=1S/C17H15NO3/c1-20-12-8-6-11(7-9-12)14-10-18-17(21-2)13-4-3-5-15(19)16(13)14/h3-10,19H,1-2H3
InChIKeyWPSKHGQCLISQOY-UHFFFAOYSA-N
XLogP3.62
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
Columbamine
CID 72310
Isoquinolin-5-ol
CID 30386
Jatrorrhizine
CID 72323
Jatrorrhizine Chloride
CID 371256
Dehydrocorydaline
CID 34781
Stepharanine
CID 10358881
4-(7-Methoxyquinolin-4-yl)-2-methylphenol
CID 135567383
6,7-Dimethoxyisoquinoline
CID 177578
Juzirine
CID 3085285
Palaudine
CID 167736

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-methoxyphenyl)isoquinolin-5-ol?
The IUPAC name of 1-methoxy-4-(4-methoxyphenyl)isoquinolin-5-ol (CID 71375623) is 1-methoxy-4-(4-methoxyphenyl)isoquinolin-5-ol.
What is the SMILES notation for 1-methoxy-4-(4-methoxyphenyl)isoquinolin-5-ol?
The canonical SMILES for 1-methoxy-4-(4-methoxyphenyl)isoquinolin-5-ol is COc1ccc(-c2cnc(OC)c3cccc(O)c23)cc1.
What is the InChIKey of 1-methoxy-4-(4-methoxyphenyl)isoquinolin-5-ol?
The InChIKey is WPSKHGQCLISQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-12-8-6-11(7-9-12)14-10-18-17(21-2)13-4-3-5-15(19)16(13)14/h3-10,19H,1-2H3.
What are the key properties of 1-methoxy-4-(4-methoxyphenyl)isoquinolin-5-ol?
1-methoxy-4-(4-methoxyphenyl)isoquinolin-5-ol has a molecular weight of 281.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-methoxyphenyl)isoquinolin-5-ol is sourced from PubChem (CID 71375623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).